N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-(4-ethoxyphenyl)ethanamide

Systemtic Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-(4-ethoxyphenyl)ethanamide Openeye Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-(4-ethoxyphenyl)acetamide CAS Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-(4-ethoxyphenyl)acetamide IUPAC Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-(4-ethoxyphenyl)acetamide Traditional Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-p-phenetyl-acetamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(=O)NCCCS(=O)(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(=O)NCCCS(=O)(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C22H28N2O4S/c1-2-28-21-10-8-18(9-11-21)16-22(25)23-13-5-15-29(26,27)24-14-12-19-6-3-4-7-20(19)17-24/h3-4,6-11H,2,5,12-17H2,1H3,(H,23,25)